CAS 338417-74-6

4-(4-Chlorophenyl)-5-[(4-methylphenyl)thio]-2-pyrimidinamine

Description:

4-(4-Chlorophenyl)-5-[(4-methylphenyl)thio]-2-pyrimidinamine, identified by its CAS number 338417-74-6, is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms. This compound features a chlorophenyl group and a methylphenylthio group, contributing to its unique chemical properties. It is typically classified as an organic compound and may exhibit biological activity, making it of interest in pharmaceutical research. The presence of the chlorophenyl moiety can influence its lipophilicity and potential interactions with biological targets. Additionally, the thioether linkage with the methylphenyl group may affect its stability and reactivity. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of targeted therapies. As with many organic compounds, its solubility, melting point, and reactivity would depend on the specific conditions and solvents used. Safety and handling precautions should be observed, as with any chemical substance, particularly in laboratory settings.

Formula: C₁₇H₁₄ClN₃S

InChI: InChI=1S/C17H14ClN3S/c1-11-2-8-14(9-3-11)22-15-10-20-17(19)21-16(15)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,19,20,21)

InChI key: InChIKey=YOEMTLADMNONPG-UHFFFAOYSA-N

SMILES: S(C=1C(=NC(N)=NC1)C2=CC=C(Cl)C=C2)C3=CC=C(C)C=C3

Synonyms:

• 4-(4-Chlorophenyl)-5-[(4-methylphenyl)thio]-2-pyrimidinamine
• 2-Pyrimidinamine, 4-(4-chlorophenyl)-5-[(4-methylphenyl)thio]-